Compound Detail
CHEMBL354103
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O=C1c2ccccc2C(=O)N1CCCO/N=C/c1cc[n+](CCCCC[n+]2ccc(/C=N/OCCCN3C(=O)c4ccccc4C3=O)cc2)cc1.[Br-].[Br-]
Basic Information
| ChEMBL ID | CHEMBL354103 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XKJVOEDGSIPUBW-XSEVWOGGSA-L |
| Parent Compound | CHEMBL1184525 |
| Active Moiety | CHEMBL1184525 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
688.8
MW (Da)
4.21
ALogP
8
HBA
0
HBD
125.7
PSA (Ų)
0.05
QED
1
Ro5 Violations
18
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.29
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M2 CHEMBL4781 | EC50 | 6.29 | 6.29 | 510.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M2 | EC50 | = | 510.0 | nM | 6.29 | Allosteric potency against the dissociation of radioligand [3H]N-methylscopolami... | 10072682 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10072682 | 10.1021/jm981023f | Muscarinic acetylcholine receptor M2 | 1 |
Data from ChEMBL 36 via Core Engine